SCHEMBL6376016

SCHEMBL6376016

COCCOCCCN1CN(CCCOCCOC)CN(CCCOCCOC)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 2/20 0.31
HRH1 P35367 2/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
KDM4E B2RXH2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8585937 0.85 ALDH1A1 (0.36) TSHRKDM4ETDP1
SCHEMBL12371266 0.83 HRH3 (0.51) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL8584708 0.81 ALDH1A1 (0.38) HRH3SMN1; SMN2TSHRKDM4E
SCHEMBL27372825 0.81 HRH3 (0.40) HRH3SMN1; SMN2SLC6A2HRH1CHRM2
SCHEMBL1277024 0.81 HRH3 (0.54) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL20231219 0.81 ALDH1A1 (0.45) HRH3SIGMAR1KDM4E
Bromide SCHEMBL2336286 0.81 HRH3 (0.50) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL20325465 0.79 HRH3 (0.39) HRH3SMN1; SMN2SLC6A2HRH1CHRM2
Iodide SCHEMBL2333886 0.79 HRH3 (0.52) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL13334883 0.79 HRH3 (0.37) HRH3SLC6A2HRH1CHRM2ADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171480-B1 METHOD FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-05-25 EP disclosed
US-6803431-B1 COMPLEX OF A TRANSITION METAL WITH A TRIDENTATE MACROCYCLIC LIGAND WHICH BEARS AT LEAST ONE SUBSTITUENT HAVING A DONOR FUNCTION AND AN ALUMINOXANE BASF AKTIENGESELLSCHAFT (DE) 2004-10-12 US disclosed